2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-methoxyphenyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-methoxyphenyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-methoxyphenyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(2-methoxyphenyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-methoxyphenyl)-1H-pyrimidin-4-one Traditional Name: 6-(2-methoxyphenyl)-2-(4-piperonylpiperazino)-1H-pyrimidin-4-one Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=O)N=C(N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=O)N=C(N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N4O4/c1-29-19-5-3-2-4-17(19)18-13-22(28)25-23(24-18)27-10-8-26(9-11-27)14-16-6-7-20-21(12-16)31-15-30-20/h2-7,12-13H,8-11,14-15H2,1H3,(H,24,25,28)